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PubMed code 12270183

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119187
PNG
(CHEMBL431048 | N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
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n/an/a 268n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119187
PNG
(CHEMBL431048 | N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
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n/an/a 6.16E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119188
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Nc2ccccn2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C27H33N5O6S/c33-22-6-8-24(9-7-22)38-19-23(34)18-28-17-20-12-15-32(16-13-20)39(36,37)25-10-4-21(5-11-25)30-27(35)31-26-3-1-2-14-29-26/h1-11,14,20,23,28,33-34H,12-13,15-19H2,(H2,29,30,31,35)/t23-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119191
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCCCc2cccs2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H38N4O6S2/c34-24-7-9-26(10-8-24)39-21-25(35)20-30-19-22-13-16-33(17-14-22)41(37,38)28-11-5-23(6-12-28)32-29(36)31-15-1-3-27-4-2-18-40-27/h2,4-12,18,22,25,30,34-35H,1,3,13-17,19-21H2,(H2,31,32,36)/t25-/m0/s1
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n/an/an/an/a 2.05E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119186
PNG
(1-(9H-Carbazol-4-yloxy)-3-{[1-(3,3,3-trifluoro-pro...)
Show SMILES O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)10-13-30-11-8-17(9-12-30)14-28-15-18(31)16-32-22-7-3-6-21-23(22)19-4-1-2-5-20(19)29-21/h1-7,17-18,28-29,31H,8-16H2/t18-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119175
PNG
(1-(2,5-Difluoro-benzyl)-3-[4-(4-{[(S)-3-(3-fluoro-...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1)COc1ccc(O)c(F)c1
Show InChI InChI=1S/C29H33F3N4O6S/c30-21-1-7-26(31)20(13-21)16-34-29(39)35-22-2-5-25(6-3-22)43(40,41)36-11-9-19(10-12-36)15-33-17-23(37)18-42-24-4-8-28(38)27(32)14-24/h1-8,13-14,19,23,33,37-38H,9-12,15-18H2,(H2,34,35,39)/t23-/m0/s1
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n/an/an/an/a 525n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119176
PNG
(1-Hexyl-3-[4-(4-{[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C28H42N4O6S/c1-2-3-4-5-16-30-28(35)31-23-6-12-27(13-7-23)39(36,37)32-17-14-22(15-18-32)19-29-20-25(34)21-38-26-10-8-24(33)9-11-26/h6-13,22,25,29,33-34H,2-5,14-21H2,1H3,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 1.09E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119180
PNG
(1-(9H-Carbazol-4-yloxy)-3-[(1-hexyl-piperidin-4-yl...)
Show SMILES CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C27H39N3O2/c1-2-3-4-7-15-30-16-13-21(14-17-30)18-28-19-22(31)20-32-26-12-8-11-25-27(26)23-9-5-6-10-24(23)29-25/h5-6,8-12,21-22,28-29,31H,2-4,7,13-20H2,1H3/t22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119178
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C28H34N4O6S/c33-24-8-10-26(11-9-24)38-20-25(34)19-29-18-21-14-16-32(17-15-21)39(36,37)27-12-6-23(7-13-27)31-28(35)30-22-4-2-1-3-5-22/h1-13,21,25,29,33-34H,14-20H2,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 135n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119173
PNG
(1-(2,5-Difluoro-benzyl)-3-[4-(4-{[(S)-2-hydroxy-3-...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H34F2N4O6S/c30-22-1-10-28(31)21(15-22)17-33-29(38)34-23-2-8-27(9-3-23)42(39,40)35-13-11-20(12-14-35)16-32-18-25(37)19-41-26-6-4-24(36)5-7-26/h1-10,15,20,25,32,36-37H,11-14,16-19H2,(H2,33,34,38)/t25-/m0/s1
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n/an/an/an/a 1.01E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119190
PNG
(1-(9H-Carbazol-4-yloxy)-3-[(1-isopropyl-piperidin-...)
Show SMILES CC(C)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C24H33N3O2/c1-17(2)27-12-10-18(11-13-27)14-25-15-19(28)16-29-23-9-5-8-22-24(23)20-6-3-4-7-21(20)26-22/h3-9,17-19,25-26,28H,10-16H2,1-2H3/t19-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119182
PNG
(3-[((S)-4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)C(=O)Nc1cccc(c1)C(O)=O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C29H32N4O5/c34-22(18-38-26-10-4-9-25-27(26)23-7-1-2-8-24(23)32-25)17-30-16-19-11-13-33(14-12-19)29(37)31-21-6-3-5-20(15-21)28(35)36/h1-10,15,19,22,30,32,34H,11-14,16-18H2,(H,31,37)(H,35,36)/t22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity by increase in cAMP levels in chinese hamster ovary cells (CHO) cells stimulated by human Beta-2 Adrenoreceptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119186
PNG
(1-(9H-Carbazol-4-yloxy)-3-{[1-(3,3,3-trifluoro-pro...)
Show SMILES O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)10-13-30-11-8-17(9-12-30)14-28-15-18(31)16-32-22-7-3-6-21-23(22)19-4-1-2-5-20(19)29-21/h1-7,17-18,28-29,31H,8-16H2/t18-/m0/s1
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n/an/an/an/a 187n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119185
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)CC1
Show InChI InChI=1S/C33H49N5O7S/c1-2-3-4-5-6-7-18-35-33(42)36-25-8-10-27(11-9-25)46(43,44)38-19-16-24(17-20-38)21-34-22-26(39)23-45-30-14-13-29(40)32-28(30)12-15-31(41)37-32/h8-11,13-14,24,26,34,39-40H,2-7,12,15-23H2,1H3,(H,37,41)(H2,35,36,42)/t26-/m0/s1
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n/an/an/an/a 390n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119187
PNG
(CHEMBL431048 | N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
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n/an/an/an/a 454n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119178
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C28H34N4O6S/c33-24-8-10-26(11-9-24)38-20-25(34)19-29-18-21-14-16-32(17-15-21)39(36,37)27-12-6-23(7-13-27)31-28(35)30-22-4-2-1-3-5-22/h1-13,21,25,29,33-34H,14-20H2,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 489n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119182
PNG
(3-[((S)-4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)C(=O)Nc1cccc(c1)C(O)=O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C29H32N4O5/c34-22(18-38-26-10-4-9-25-27(26)23-7-1-2-8-24(23)32-25)17-30-16-19-11-13-33(14-12-19)29(37)31-21-6-3-5-20(15-21)28(35)36/h1-10,15,19,22,30,32,34H,11-14,16-18H2,(H,31,37)(H,35,36)/t22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity by increase in cAMP levels in chinese hamster ovary cells (CHO) cells stimulated by human Beta-1 Adrenoreceptor was determi...

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119180
PNG
(1-(9H-Carbazol-4-yloxy)-3-[(1-hexyl-piperidin-4-yl...)
Show SMILES CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C27H39N3O2/c1-2-3-4-7-15-30-16-13-21(14-17-30)18-28-19-22(31)20-32-26-12-8-11-25-27(26)23-9-5-6-10-24(23)29-25/h5-6,8-12,21-22,28-29,31H,2-4,7,13-20H2,1H3/t22-/m0/s1
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n/an/an/an/a 665n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119184
PNG
(1-[(S)-4-(4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-pr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C34H45N5O5S/c1-2-3-4-7-19-36-34(41)37-26-13-15-28(16-14-26)45(42,43)39-20-17-25(18-21-39)22-35-23-27(40)24-44-32-12-8-11-31-33(32)29-9-5-6-10-30(29)38-31/h5-6,8-16,25,27,35,38,40H,2-4,7,17-24H2,1H3,(H2,36,37,41)/t27-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119186
PNG
(1-(9H-Carbazol-4-yloxy)-3-{[1-(3,3,3-trifluoro-pro...)
Show SMILES O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)10-13-30-11-8-17(9-12-30)14-28-15-18(31)16-32-22-7-3-6-21-23(22)19-4-1-2-5-20(19)29-21/h1-7,17-18,28-29,31H,8-16H2/t18-/m0/s1
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n/an/an/an/a 417n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119191
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCCCc2cccs2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H38N4O6S2/c34-24-7-9-26(10-8-24)39-21-25(35)20-30-19-22-13-16-33(17-14-22)41(37,38)28-11-5-23(6-12-28)32-29(36)31-15-1-3-27-4-2-18-40-27/h2,4-12,18,22,25,30,34-35H,1,3,13-17,19-21H2,(H2,31,32,36)/t25-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119187
PNG
(CHEMBL431048 | N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
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n/an/an/an/a 353n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119177
PNG
(1-(9H-Carbazol-4-yloxy)-3-{[1-(naphthalene-2-sulfo...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C31H33N3O4S/c35-25(21-38-30-11-5-10-29-31(30)27-8-3-4-9-28(27)33-29)20-32-19-22-14-16-34(17-15-22)39(36,37)26-13-12-23-6-1-2-7-24(23)18-26/h1-13,18,22,25,32-33,35H,14-17,19-21H2/t25-/m0/s1
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n/an/an/an/a 380n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119179
PNG
(1-Cyclohexyl-3-[4-(4-{[(S)-2-hydroxy-3-(4-hydroxy-...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C28H40N4O6S/c33-24-8-10-26(11-9-24)38-20-25(34)19-29-18-21-14-16-32(17-15-21)39(36,37)27-12-6-23(7-13-27)31-28(35)30-22-4-2-1-3-5-22/h6-13,21-22,25,29,33-34H,1-5,14-20H2,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119176
PNG
(1-Hexyl-3-[4-(4-{[(S)-2-hydroxy-3-(4-hydroxy-pheno...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C28H42N4O6S/c1-2-3-4-5-16-30-28(35)31-23-6-12-27(13-7-23)39(36,37)32-17-14-22(15-18-32)19-29-20-25(34)21-38-26-10-8-24(33)9-11-26/h6-13,22,25,29,33-34H,2-5,14-21H2,1H3,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 58n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 887n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119171
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-in...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3NC(=O)Cc23)CC1
Show InChI InChI=1S/C32H47N5O6S/c1-2-3-4-5-6-7-17-34-32(40)35-25-11-13-27(14-12-25)44(41,42)37-18-15-24(16-19-37)21-33-22-26(38)23-43-30-10-8-9-29-28(30)20-31(39)36-29/h8-14,24,26,33,38H,2-7,15-23H2,1H3,(H,36,39)(H2,34,35,40)/t26-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119172
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CC(C)CNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C26H38N4O6S/c1-19(2)15-28-26(33)29-21-3-9-25(10-4-21)37(34,35)30-13-11-20(12-14-30)16-27-17-23(32)18-36-24-7-5-22(31)6-8-24/h3-10,19-20,23,27,31-32H,11-18H2,1-2H3,(H2,28,29,33)/t23-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119182
PNG
(3-[((S)-4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-prop...)
Show SMILES O[C@@H](CNCC1CCN(CC1)C(=O)Nc1cccc(c1)C(O)=O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C29H32N4O5/c34-22(18-38-26-10-4-9-25-27(26)23-7-1-2-8-24(23)32-25)17-30-16-19-11-13-33(14-12-19)29(37)31-21-6-3-5-20(15-21)28(35)36/h1-10,15,19,22,30,32,34H,11-14,16-18H2,(H,31,37)(H,35,36)/t22-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity by increase in cAMP levels in chinese hamster ovary cells (CHO) cells stimulated by human Beta-3 Adrenoreceptor was determi...

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119185
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)CC1
Show InChI InChI=1S/C33H49N5O7S/c1-2-3-4-5-6-7-18-35-33(42)36-25-8-10-27(11-9-25)46(43,44)38-19-16-24(17-20-38)21-34-22-26(39)23-45-30-14-13-29(40)32-28(30)12-15-31(41)37-32/h8-11,13-14,24,26,34,39-40H,2-7,12,15-23H2,1H3,(H,37,41)(H2,35,36,42)/t26-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119187
PNG
(CHEMBL431048 | N-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)NCc3cc(F)ccc3F)cc2)ccc1O
Show InChI InChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119189
PNG
(1-(9H-Carbazol-4-yloxy)-3-[(1-pentyl-piperidin-4-y...)
Show SMILES CCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C26H37N3O2/c1-2-3-6-14-29-15-12-20(13-16-29)17-27-18-21(30)19-31-25-11-7-10-24-26(25)22-8-4-5-9-23(22)28-24/h4-5,7-11,20-21,27-28,30H,2-3,6,12-19H2,1H3/t21-/m0/s1
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n/an/an/an/a 319n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119192
PNG
(1-(9H-Carbazol-4-yloxy)-3-[(1-propyl-piperidin-4-y...)
Show SMILES CCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C24H33N3O2/c1-2-12-27-13-10-18(11-14-27)15-25-16-19(28)17-29-23-9-5-8-22-24(23)20-6-3-4-7-21(20)26-22/h3-9,18-19,25-26,28H,2,10-17H2,1H3/t19-/m0/s1
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n/an/an/an/a 870n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119184
PNG
(1-[(S)-4-(4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-pr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C34H45N5O5S/c1-2-3-4-7-19-36-34(41)37-26-13-15-28(16-14-26)45(42,43)39-20-17-25(18-21-39)22-35-23-27(40)24-44-32-12-8-11-31-33(32)29-9-5-6-10-30(29)38-31/h5-6,8-16,25,27,35,38,40H,2-4,7,17-24H2,1H3,(H2,36,37,41)/t27-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119184
PNG
(1-[(S)-4-(4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-pr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C34H45N5O5S/c1-2-3-4-7-19-36-34(41)37-26-13-15-28(16-14-26)45(42,43)39-20-17-25(18-21-39)22-35-23-27(40)24-44-32-12-8-11-31-33(32)29-9-5-6-10-30(29)38-31/h5-6,8-16,25,27,35,38,40H,2-4,7,17-24H2,1H3,(H2,36,37,41)/t27-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119173
PNG
(1-(2,5-Difluoro-benzyl)-3-[4-(4-{[(S)-2-hydroxy-3-...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C29H34F2N4O6S/c30-22-1-10-28(31)21(15-22)17-33-29(38)34-23-2-8-27(9-3-23)42(39,40)35-13-11-20(12-14-35)16-32-18-25(37)19-41-26-6-4-24(36)5-7-26/h1-10,15,20,25,32,36-37H,11-14,16-19H2,(H2,33,34,38)/t25-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119181
PNG
(1-Hexyl-3-[4-(4-{[(S)-2-hydroxy-3-(2-oxo-2,3-dihyd...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)CC1
Show InChI InChI=1S/C29H42N6O6S/c1-2-3-4-5-15-31-28(37)32-22-9-11-24(12-10-22)42(39,40)35-16-13-21(14-17-35)18-30-19-23(36)20-41-26-8-6-7-25-27(26)34-29(38)33-25/h6-12,21,23,30,36H,2-5,13-20H2,1H3,(H2,31,32,37)(H2,33,34,38)/t23-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50119179
PNG
(1-Cyclohexyl-3-[4-(4-{[(S)-2-hydroxy-3-(4-hydroxy-...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C28H40N4O6S/c33-24-8-10-26(11-9-24)38-20-25(34)19-29-18-21-14-16-32(17-15-21)39(36,37)27-12-6-23(7-13-27)31-28(35)30-22-4-2-1-3-5-22/h6-13,21-22,25,29,33-34H,1-5,14-20H2,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 1.02E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119174
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-3-methyl-phen...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c(C)c2)CC1
Show InChI InChI=1S/C31H48N4O6S/c1-3-4-5-6-7-8-17-33-31(38)34-26-9-12-29(13-10-26)42(39,40)35-18-15-25(16-19-35)21-32-22-27(36)23-41-28-11-14-30(37)24(2)20-28/h9-14,20,25,27,32,36-37H,3-8,15-19,21-23H2,1-2H3,(H2,33,34,38)/t27-/m0/s1
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n/an/an/an/a 306n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50119175
PNG
(1-(2,5-Difluoro-benzyl)-3-[4-(4-{[(S)-3-(3-fluoro-...)
Show SMILES O[C@@H](CNCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1)COc1ccc(O)c(F)c1
Show InChI InChI=1S/C29H33F3N4O6S/c30-21-1-7-26(31)20(13-21)16-34-29(39)35-22-2-5-25(6-3-22)43(40,41)36-11-9-19(10-12-36)15-33-17-23(37)18-42-24-4-8-28(38)27(32)14-24/h1-8,13-14,19,23,33,37-38H,9-12,15-18H2,(H2,34,35,39)/t23-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119180
PNG
(1-(9H-Carbazol-4-yloxy)-3-[(1-hexyl-piperidin-4-yl...)
Show SMILES CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C27H39N3O2/c1-2-3-4-7-15-30-16-13-21(14-17-30)18-28-19-22(31)20-32-26-12-8-11-25-27(26)23-9-5-6-10-24(23)29-25/h5-6,8-12,21-22,28-29,31H,2-4,7,13-20H2,1H3/t22-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50119185
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)CC1
Show InChI InChI=1S/C33H49N5O7S/c1-2-3-4-5-6-7-18-35-33(42)36-25-8-10-27(11-9-25)46(43,44)38-19-16-24(17-20-38)21-34-22-26(39)23-45-30-14-13-29(40)32-28(30)12-15-31(41)37-32/h8-11,13-14,24,26,34,39-40H,2-7,12,15-23H2,1H3,(H,37,41)(H2,35,36,42)/t26-/m0/s1
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n/an/an/an/a 680n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-2 adrenergic receptor

Bioorg Med Chem Lett 12: 2957-61 (2002)


BindingDB Entry DOI: 10.7270/Q2HT2NP4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%